1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine

C12H16FN3 — CID 122082851

IUPAC1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine
SMILESC/N=C(\N)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FN3/c1-15-12(14)16-11-6-9(7-11)8-2-4-10(13)5-3-8/h2-5,9,11H,6-7H2,1H3,(H3,14,15,16)
InChIKeyLARQOFVWYDVTSF-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.61
Rot. Bonds2

About 1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine

1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine (PubChem CID 122082851) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine
PubChem CID122082851
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine
SMILESC/N=C(\N)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FN3/c1-15-12(14)16-11-6-9(7-11)8-2-4-10(13)5-3-8/h2-5,9,11H,6-7H2,1H3,(H3,14,15,16)
InChIKeyLARQOFVWYDVTSF-UHFFFAOYSA-N
XLogP1.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082343
N-[3-(4-fluorophenyl)cyclobutyl]cyclopentanamine
CID 43632694
3-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 82720724
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate
CID 60811082
2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152
N-(3,3-dimethylbutan-2-yl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 115920232
5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
CID 43633732
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 64568470
3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine
CID 43731257
1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-methoxyethyl)guanidine
CID 122082585
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 120606113

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine?
The IUPAC name of 1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine (CID 122082851) is 1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine?
The canonical SMILES for 1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine is C/N=C(\N)NC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine?
The InChIKey is LARQOFVWYDVTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-15-12(14)16-11-6-9(7-11)8-2-4-10(13)5-3-8/h2-5,9,11H,6-7H2,1H3,(H3,14,15,16).
What are the key properties of 1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine?
1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine has a molecular weight of 221.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine is sourced from PubChem (CID 122082851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).